Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50259924'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259924 (CHEMBL4096397) Show SMILES C1N=C(Nc2ncnc3ccccc23)NC11CN2CCC1CC2 |t:1,THB:14:15:18.19:21.22,(17.8,-17.06,;18.95,-16.03,;18.32,-14.62,;19.1,-13.29,;20.64,-13.29,;21.41,-11.95,;22.95,-11.95,;23.73,-13.29,;22.95,-14.63,;23.71,-15.96,;22.95,-17.28,;21.4,-17.28,;20.64,-15.95,;21.41,-14.62,;16.79,-14.78,;16.47,-16.29,;16.26,-17.68,;14.34,-16.87,;12.93,-17.8,;13.28,-16.4,;14.98,-15.65,;14.92,-14.01,;14.33,-15.4,)| Show InChI InChI=1S/C17H20N6/c1-2-4-14-13(3-1)15(20-11-19-14)21-16-18-9-17(22-16)10-23-7-5-12(17)6-8-23/h1-4,11-12H,5-10H2,(H2,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease in calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 578-581 (2017) Article DOI: 10.1016/j.bmcl.2016.12.014 BindingDB Entry DOI: 10.7270/Q28P62ZN
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